REMARK  Name = BDB002099
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.943   0.978  -0.043  0.00  0.00    +0.144 A 
ATOM      2  C   LIG    1       -0.366   0.101   0.896  0.00  0.00    +0.079 A 
ATOM      3  C   LIG    1       -1.101  -0.982   1.365  0.00  0.00    +0.074 A 
ATOM      4  C   LIG    1       -2.394  -1.204   0.879  0.00  0.00    +0.143 A 
ATOM      5  C   LIG    1       -3.007  -0.339  -0.056  0.00  0.00    +0.076 A 
ATOM      6  C   LIG    1       -2.248   0.754  -0.502  0.00  0.00    +0.074 A 
ENDROOT
BRANCH   5   7
ATOM      7  N   LIG    1       -4.320  -0.573  -0.498  0.00  0.00    -0.323 N 
ATOM      8  C   LIG    1       -4.748  -0.117  -1.837  0.00  0.00    +0.133 C 
ATOM      9  C   LIG    1       -5.720   1.067  -1.724  0.00  0.00    +0.178 C 
ATOM     10  O   LIG    1       -6.919   0.757  -0.998  0.00  0.00    -0.377 OA
ATOM     11  C   LIG    1       -6.745  -0.307  -0.047  0.00  0.00    +0.178 C 
ATOM     12  C   LIG    1       -5.334  -0.360   0.566  0.00  0.00    +0.133 C 
ENDBRANCH   5   7
BRANCH   2  13
ATOM     13  N   LIG    1        0.953   0.384   1.298  0.00  0.00    -0.280 N 
ATOM     14  H   LIG    1        1.363   1.208   0.858  0.00  0.00    +0.155 HD
ATOM     15  C   LIG    1        1.794  -0.339   2.122  0.00  0.00    +0.255 C 
ATOM     16  O   LIG    1        1.510  -1.360   2.740  0.00  0.00    -0.272 OA
BRANCH  15  17
ATOM     17  C   LIG    1        3.187   0.295   2.224  0.00  0.00    +0.325 C 
BRANCH  17  18
ATOM     18  O   LIG    1        3.453   1.119   1.081  0.00  0.00    -0.481 OA
BRANCH  18  19
ATOM     19  C   LIG    1        4.358   0.509   0.241  0.00  0.00    +0.147 A 
ATOM     20  C   LIG    1        5.735   0.597   0.498  0.00  0.00    +0.112 A 
ATOM     21  C   LIG    1        6.598  -0.042  -0.422  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        7.979   0.020  -0.184  0.00  0.00    +0.011 A 
ATOM     23  C   LIG    1        8.463   0.704   0.926  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        7.547   1.300   1.772  0.00  0.00    +0.111 A 
ATOM     25  C   LIG    1        6.081  -0.719  -1.543  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1        4.706  -0.773  -1.769  0.00  0.00    +0.004 A 
ATOM     27  N   LIG    1        6.211   1.253   1.582  0.00  0.00    -0.251 NA
ATOM     28  C   LIG    1        3.840  -0.149  -0.880  0.00  0.00    +0.048 A 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH   2  13
BRANCH   1  29
ATOM     29  O   LIG    1       -0.133   2.018  -0.441  0.00  0.00    -0.490 OA
BRANCH  29  31
ATOM     30  C   LIG    1        0.424   3.977  -1.671  0.00  0.00    +0.048 C 
ATOM     31  C   LIG    1       -0.654   2.941  -1.398  0.00  0.00    +0.226 C 
ENDBRANCH  29  31
ENDBRANCH   1  29
BRANCH   4  32
ATOM     32  O   LIG    1       -3.058  -2.298   1.387  0.00  0.00    -0.490 OA
BRANCH  32  33
ATOM     33  C   LIG    1       -3.024  -3.386   0.453  0.00  0.00    +0.226 C 
ATOM     34  C   LIG    1       -3.846  -4.522   1.039  0.00  0.00    +0.048 C 
ENDBRANCH  32  33
ENDBRANCH   4  32
TORSDOF 9